3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)C

InChI

InChI=1S/C20H23N3O2S/c1-12(2)18(24)21-16-5-7-17(8-6-16)22-20(26)23-19(25)15-10-13(3)9-14(4)11-15/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)